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4-{4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl}morpholin-4-ium-4-olate

4-{4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl}morpholin-4-ium-4-olate

CAS: 189038-36-6

Formula: C16H20FN3O5

SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C1=CC(F)=C(C=C1)[N+]1([O-])CCOCC1

IUPAC: 4-{4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl}morpholin-4-ium-4-olate

InChI: InChI=1S/C16H20FN3O5/c1-11(21)18-9-13-10-19(16(22)25-13)12-2-3-15(14(17)8-12)20(23)4-6-24-7-5-20/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1

Composition: C (54.39%), H (5.71%), F (5.38%), N (11.89%), O (22.64%)

Molar Mass: 353.35

Atom Count: 45

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 353.138698919
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey CMFKNYFIQWSUNN-ZDUSSCGKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 95.41
Topological Polar Surface Area 90.93
Polarizability 32.6
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 189038-36-6 $665.00$665.00
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